tert-butyl 2-[2-bromanyl-4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoate

Systemtic Name: tert-butyl 2-[2-bromanyl-4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoate Openeye Name: tert-butyl 2-[2-bromo-4-(1-oxoisoindolin-2-yl)phenyl]propanoate CAS Name: 2-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoate Traditional Name: 2-[2-bromo-4-(1-ketoisoindolin-2-yl)phenyl]propionic acid tert-butyl ester Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)N2CC3=CC=CC=C3C2=O)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=C(C=C(C=C1)N2CC3=CC=CC=C3C2=O)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H22BrNO3/c1-13(20(25)26-21(2,3)4)16-10-9-15(11-18(16)22)23-12-14-7-5-6-8-17(14)19(23)24/h5-11,13H,12H2,1-4H3